SCHEMBL8515798

SCHEMBL8515798

N#Cc1cnc(N)cc1N1CCOc2ccc(-c3cnc4sc(N)nc4c3)cc2C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 2/20 0.37
PIK3CA P42336 5/20 0.36
PRKDC P78527 1/20 0.33
MTOR P42345 1/20 0.33
DYRK1A Q13627 1/20 0.32
TNIK Q9UKE5 1/20 0.31
SRC P12931 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CREBBP Q92793 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8510282 0.87 PIK3CA (0.36) GPR142PIK3CAPRKDCMTORDYRK1A
SCHEMBL8534107 0.87 PIK3CA (0.36) GPR142PIK3CAPRKDCMTORDYRK1A
SCHEMBL16476881 0.85 PIK3CA (0.33) PIK3CASRC
SCHEMBL8636847 0.82 PIK3CA (0.38) GPR142PIK3CAPRKDCMTORDYRK1A
SCHEMBL8530464 0.81 PIK3CA (0.38) GPR142PIK3CAPRKDCMTORDYRK1A
SCHEMBL8586187 0.81 DYRK1A (0.40) GPR142PIK3CAPRKDCMTORDYRK1A
SCHEMBL8534626 0.81 PIK3CA (0.41) GPR142PIK3CAPRKDCDYRK1ACREBBP
SCHEMBL8533147 0.80 PIK3CA (0.37) GPR142PIK3CAPRKDCMTORDYRK1A
SCHEMBL15408309 0.80 PIK3CA (0.36) GPR142PIK3CAPRKDCMTORCREBBP
SCHEMBL8534964 0.79 MAPT (0.42) GPR142PIK3CAPRKDCMTORDYRK1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US claimed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US disclosed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US disclosed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US disclosed
EP-2643327-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-10-02 EP disclosed
WO-2012071511-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RICTOR, RPTOR GPR142 2234/4885PIK3CA 135/4885PRKDC 4070/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.